UCSF

ZINC41869445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 8.37 -14.24 1 5 0 51 380.488 5
Mid Mid (pH 6-8) 3.49 10.37 -50.89 2 5 1 52 381.496 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )